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88241-55-8 | Benzene, [1-(methoxymethyl)-1,2-butadienyl]-
CAS No: 88241-55-8 Catalog No: AG004AN3 MDL No:
Product Description
Catalog Number:
AG004AN3
Chemical Name:
Benzene, [1-(methoxymethyl)-1,2-butadienyl]-
CAS Number:
88241-55-8
Molecular Formula:
C12H14O
Molecular Weight:
174.2390
IUPAC Name:
1-methoxypenta-2,3-dien-2-ylbenzene
InChI:
InChI=1S/C12H14O/c1-3-7-12(10-13-2)11-8-5-4-6-9-11/h3-6,8-9H,10H2,1-2H3
InChI Key:
FBLQYJDMFAETSX-UHFFFAOYSA-N
SMILES:
COCC(=C=CC)c1ccccc1
Properties
Complexity:
193
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.104g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.243g/mol
Monoisotopic Mass:
174.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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